3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C22H24N4O2 — CID 24790301

IUPAC3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(NC2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)cc1C
InChIInChI=1S/C22H24N4O2/c1-15-8-9-17(12-16(15)2)24-18-6-5-10-25(14-18)21(27)19-13-23-20-7-3-4-11-26(20)22(19)28/h3-4,7-9,11-13,18,24H,5-6,10,14H2,1-2H3
InChIKeyNLKNIVXRVDRRQF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.03
Rot. Bonds3

About 3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 24790301) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID24790301
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(NC2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)cc1C
InChIInChI=1S/C22H24N4O2/c1-15-8-9-17(12-16(15)2)24-18-6-5-10-25(14-18)21(27)19-13-23-20-7-3-4-11-26(20)22(19)28/h3-4,7-9,11-13,18,24H,5-6,10,14H2,1-2H3
InChIKeyNLKNIVXRVDRRQF-UHFFFAOYSA-N
XLogP3.03
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 24790301) is 3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc(NC2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)cc1C.
What is the InChIKey of 3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NLKNIVXRVDRRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-8-9-17(12-16(15)2)24-18-6-5-10-25(14-18)21(27)19-13-23-20-7-3-4-11-26(20)22(19)28/h3-4,7-9,11-13,18,24H,5-6,10,14H2,1-2H3.
What are the key properties of 3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 376.46 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24790301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).